Physical properties and thermal stability of zirconium platinum nitride thin films

Abstract

Ternary transition metal nitrides (TMNs) promise to significantly expand the material design space by opening new functionality and enhancing existing properties. However, most systems have only been investigated computationally, and limited understanding of their stabilizing mechanisms restricts translation to experimental synthesis. To better elucidate key factors in designing ternary TMNs, we experimentally fabricate and analyze the physical properties of the ternary Zr–Pt–N system. Structural analysis and density functional theory modeling demonstrate that Pt substitutes nitrogen on the nonmetallic sublattice, which destabilizes the rock salt structure and forms a complex cubic phase. We also show insolubility of Pt in the Zr–Pt–N at 45 at. % with the formation of a secondary Pt-rich phase. The measured reduced plasma frequency, decrease in resistivity, and decrease in hardness reflect a dominance of metallic behavior in bonding. Additionally, we observe the exsolution of Pt nano precipitates from the Zr–Pt–N films upon annealing as well as degradation in the nitridic film's thermal stability. Even at low concentrations (1%), Pt facilitates a solid reaction with the Si substrate that is otherwise inaccessible in ZrN films.